Isobutyl anthranilate

C11H15NO2CAS 7779-77-3193.25 g/mol

Open in Covalent MOL file
OOH2N
EsterPrimary amine

Properties

Molecular formula
C11H15NO2
Molar mass
193.25 g/mol
Exact mass
193.1103 Da
Density
1.057–1.063 g/mL
Water solubility
insoluble
logP
2.08Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Not classified as hazardous under GHS by 90 ECHA notifiers. Aggregated from 90 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
7779-77-3
SMILES
CC(C)COC(=O)c1ccccc1N
InChIKey
ILCLJQFCMRCPNM-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7,12H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names
  • Benzoic acid, 2-amino-, 2-methylpropyl ester
  • Anthranilic acid, isobutyl ester
  • Isobutyl o-aminobenzoate
  • 2-Methylpropyl 2-aminobenzoate

Work with Isobutyl anthranilate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diisobutyl phthalate84-69-576 % similar Ethyl 2-aminobenzoate87-25-265 % similar Isobutyl salicylate87-19-464 % similar Butyl anthranilate7756-96-963 % similar Isobutyl benzoate120-50-359 % similar Benzyl anthranilate82185-41-959 % similar Methyl anthranilate134-20-357 % similar Isobutyl p-aminobenzoate94-14-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 4-(dimethylamino)benzoate10287-53-3 β-Amino-4-ethylbenzenepropanoic acid117391-52-3 (3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol163439-82-5 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline1745-07-9 4-(Diethylamino)-2-hydroxybenzaldehyde17754-90-4 tert-Butyl 4-aminobenzoate18144-47-3 N,N-Diethyl-2-hydroxybenzamide19311-91-2 1-Methylethyl 3-amino-4-methylbenzoate21447-47-2

Elsewhere

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